SCHEMBL6904892

SCHEMBL6904892

CCCCCCCCOC(=O)CCCCCCCC(O)C(O)CCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.67
MAPT P10636 1/20 0.57
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
NAAA Q02083 1/20 0.56
DNM1 Q05193 1/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
DUSP3 P51452 1/20 0.54
HTR2C P28335 1/20 0.54
PAM P19021 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PLA2G2A P14555 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3692173 1.00 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL17212329 1.00 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL3815253 1.00 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL7879521 0.97 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL9355818 0.94 DGKA (0.59) DGKAMEN1KMT2APAMALDH1A1
SCHEMBL4340206 0.90 DGKA (0.62) DGKAMAPTDNM1LMNAMEN1
SCHEMBL3487129 0.90 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL294266 0.90 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL3487063 0.90 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL3813041 0.90 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767548-B2 STABILIZED CONCENTRATES CONTAINING MICROBIOCIDESM MIXTURE OF OIL, CARDIIMIDE COMPOUND AND EMULSIFIER ISP INVESTMENTS INC. 2004-07-27 US disclosed
US-20030165554-A1 Gel inhibited liquid carrier for a biocide containing a carbodiimide and an emulsifier mixture ISP INVESTMENTS INC. 2003-09-04 US disclosed
WO-2003069992-A1 GEL INHIBITED LIQUID CARRIER FOR A BIOCIDE CONTAINING A CARBODIIMIDE AND AN EMULSIFIER MIXTURE ISP INVESTMENTS INC. (US) 2003-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030165554-A1 Gel inhibited liquid carrier for a biocide containing a carbodiimide and an emulsifier mixture HAO2, HAAO, ALOX12 DGKA 931/4885MAPT 4792/4885PRSS1 4500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.